methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate

C13H25NO4S — CID 83053832

IUPACmethyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate
SMILESCCCC1CCCCN1S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C13H25NO4S/c1-3-7-12-8-4-5-10-14(12)19(16,17)11-6-9-13(15)18-2/h12H,3-11H2,1-2H3
InChIKeyYEQZXNWGRKGKQK-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.92
Rot. Bonds7

About methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate

methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate (PubChem CID 83053832) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate.

Molecular Properties

Compound Namemethyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate
PubChem CID83053832
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Namemethyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate
SMILESCCCC1CCCCN1S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C13H25NO4S/c1-3-7-12-8-4-5-10-14(12)19(16,17)11-6-9-13(15)18-2/h12H,3-11H2,1-2H3
InChIKeyYEQZXNWGRKGKQK-UHFFFAOYSA-N
XLogP1.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-6-oxohexyl)sulfonylpiperidine-2-carboxylic acid
CID 122070228
methyl 4-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 61460139
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
CID 79034671
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
methyl 2-[2-(hydroxymethyl)azepan-1-yl]sulfonylacetate
CID 116636738
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
4-(2-methoxycarbonylpiperidin-1-yl)sulfonylbutanoic acid
CID 54876199
methyl 2-[1-(chloromethylsulfonyl)piperidin-2-yl]acetate
CID 63665399
methyl 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)propanoate
CID 66794420

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate?
The IUPAC name of methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate (CID 83053832) is methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate.
What is the SMILES notation for methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate?
The canonical SMILES for methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate is CCCC1CCCCN1S(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate?
The InChIKey is YEQZXNWGRKGKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-3-7-12-8-4-5-10-14(12)19(16,17)11-6-9-13(15)18-2/h12H,3-11H2,1-2H3.
What are the key properties of methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate?
methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate has a molecular weight of 291.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate is sourced from PubChem (CID 83053832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).